ChemSpider 2D Image | 1,5-Anhydro-2,4-dideoxy-3-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-{[3-(5-methyl-1H-tetrazol-1-yl)propanoyl]amino}-D-erythro-pentitol | C16H24N6O4

1,5-Anhydro-2,4-dideoxy-3-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-{[3-(5-methyl-1H-tetrazol-1-yl)propanoyl]amino}-D-erythro-pentitol

  • Molecular FormulaC16H24N6O4
  • Average mass364.400 Da
  • Monoisotopic mass364.185913 Da
  • ChemSpider ID35067767

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,5-Anhydro-2,4-dideoxy-3-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-{[3-(5-methyl-1H-tetrazol-1-yl)propanoyl]amino}-D-erythro-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2,4-didesoxy-3-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-{[3-(5-methyl-1H-tetrazol-1-yl)propanoyl]amino}-D-erythro-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,4-didésoxy-3-O-[(3,5-diméthyl-1,2-oxazol-4-yl)méthyl]-4-{[3-(5-méthyl-1H-tétrazol-1-yl)propanoyl]amino}-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 1,5-anhydro-2,4-dideoxy-3-O-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-[[3-(5-methyl-1H-tetrazol-1-yl)-1-oxopropyl]amino]- [ACD/Index Name]
1,5-anhydro-2,4-dideoxy-3-O-[(3,5-dimethylisoxazol-4-yl)methyl]-4-{[3-(5-methyl-1H-tetrazol-1-yl)propanoyl]amino}-D-erythro-pentitol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 676.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.2±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 92.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.54
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.54
Polar Surface Area: 117 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 253.1±7.0 cm3

Click to predict properties on the Chemicalize site


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